COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK411585
Chemical Name: (2E)-3-(4-tert-butylphenyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Smiles: O=C(N1CCc2c(C1)cccc2)/C=C/c1ccc(cc1)C(C)(C)C

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Molecular Weight: 319.45
Empirical Formula: C22H25NO

Physical State: Dry powder
Available Amount: 560 mg

Lipinsky:
logP: 5.313
Rotatable bonds: 1
H-donors: 0
H-acceptors: 1
PSA: 20
Number of rings: 3

     

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